TC-C 14GPotent, high affinity CB1 receptor inverse agonist CAS# 656804-72-7 |
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Quality Control & MSDS
3D structure
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| Cas No. | 656804-72-7 | SDF | Download SDF |
| PubChem ID | 22475020 | Appearance | Powder |
| Formula | C24H17Cl2F2NO4 | M.Wt | 492.3 |
| Type of Compound | N/A | Storage | Desiccate at -20°C |
| Solubility | Soluble to 100 mM in DMSO and to 100 mM in ethanol | ||
| Chemical Name | [2-(2,4-dichlorophenyl)-6-fluoro-2-(4-fluorophenyl)-1,3-benzodioxol-5-yl]-morpholin-4-ylmethanone | ||
| SMILES | C1COCCN1C(=O)C2=CC3=C(C=C2F)OC(O3)(C4=CC=C(C=C4)F)C5=C(C=C(C=C5)Cl)Cl | ||
| Standard InChIKey | VUCKSZWMRCSPME-UHFFFAOYSA-N | ||
| Standard InChI | InChI=1S/C24H17Cl2F2NO4/c25-15-3-6-18(19(26)11-15)24(14-1-4-16(27)5-2-14)32-21-12-17(20(28)13-22(21)33-24)23(30)29-7-9-31-10-8-29/h1-6,11-13H,7-10H2 | ||
| General tips | For obtaining a higher solubility , please warm the tube at 37 ℃ and shake it in the ultrasonic bath for a while.Stock solution can be stored below -20℃ for several months. We recommend that you prepare and use the solution on the same day. However, if the test schedule requires, the stock solutions can be prepared in advance, and the stock solution must be sealed and stored below -20℃. In general, the stock solution can be kept for several months. Before use, we recommend that you leave the vial at room temperature for at least an hour before opening it. |
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| About Packaging | 1. The packaging of the product may be reversed during transportation, cause the high purity compounds to adhere to the neck or cap of the vial.Take the vail out of its packaging and shake gently until the compounds fall to the bottom of the vial. 2. For liquid products, please centrifuge at 500xg to gather the liquid to the bottom of the vial. 3. Try to avoid loss or contamination during the experiment. |
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| Shipping Condition | Packaging according to customer requirements(5mg, 10mg, 20mg and more). Ship via FedEx, DHL, UPS, EMS or other couriers with RT, or blue ice upon request. | ||
| Description | Potent, high affinity CB1 receptor inverse agonist (EC50 = 11 nM in cAMP assay; Ki = 4 nM). Demonstrates high efficacy in a hypothermia assay (ID50 = 5 mg/kg) in vivo. |
TC-C 14G Dilution Calculator
TC-C 14G Molarity Calculator
| 1 mg | 5 mg | 10 mg | 20 mg | 25 mg | |
| 1 mM | 2.0313 mL | 10.1564 mL | 20.3128 mL | 40.6256 mL | 50.782 mL |
| 5 mM | 0.4063 mL | 2.0313 mL | 4.0626 mL | 8.1251 mL | 10.1564 mL |
| 10 mM | 0.2031 mL | 1.0156 mL | 2.0313 mL | 4.0626 mL | 5.0782 mL |
| 50 mM | 0.0406 mL | 0.2031 mL | 0.4063 mL | 0.8125 mL | 1.0156 mL |
| 100 mM | 0.0203 mL | 0.1016 mL | 0.2031 mL | 0.4063 mL | 0.5078 mL |
| * Note: If you are in the process of experiment, it's necessary to make the dilution ratios of the samples. The dilution data above is only for reference. Normally, it's can get a better solubility within lower of Concentrations. | |||||
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Benzodioxoles: novel cannabinoid-1 receptor inverse agonists for the treatment of obesity.[Pubmed:18335976]
J Med Chem. 2008 Apr 10;51(7):2115-27.
The application of the evolutionary fragment-based de novo design tool TOPology Assigning System (TOPAS), starting from a known CB1R (CB-1 receptor) ligand, followed by further refinement principles, including pharmacophore compliance, chemical tractability, and drug likeness, allowed the identification of benzodioxoles as a novel CB1R inverse agonist series. Extensive multidimensional optimization was rewarded by the identification of promising lead compounds, showing in vivo activity. These compounds reversed the CP-55940-induced hypothermia in Naval Medical Research Institute (NMRI) mice and reduced body-weight gain, as well as fat mass, in diet-induced obese Sprague-Dawley rats. Herein, we disclose the tools and strategies that were employed for rapid hit identification, synthesis and generation of structure-activity relationships, ultimately leading to the identification of (+)-[( R)-2-(2,4-dichloride-phenyl)-6-fluoro-2-(4-fluoro-phenyl)-benzo[1,3]dioxol-5-yl]- morpholin-4-yl-methanone ( R)-14g . Biochemical, pharmacokinetic, and pharmacodynamic characteristics of ( R)-14g are discussed.
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